HRID823205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID9961787

1-[2-(benzimidazol-2-ylthio)ethyl]piperazine

C13H18N4S

HCID69064831

未命名化合物

PRODUCTS

生成物

结构：CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1

HCID9892288

4-[2-(1H-Benzimidazol-2-ylthio)ethyl]-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-1-piperazineacetamide

C23H30N6OS3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdc1e7e37f48416e868319173faa2ea0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:13][S:14][c:15]1[n:16][c:17]([CH3:28])[cH:18][c:19]([S:26][CH3:27])[c:20]1[NH:21][C:22]([CH2:23][OH:24])=[O:25].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[OH2:71].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[n:29]1[c:30]([S:38][CH2:39][CH2:40][N:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[nH:31][c:32]2[c:33]1[cH:34][cH:35][cH:36][cH:37]2>>[CH3:13][S:14][c:15]1[n:16][c:17]([CH3:28])[cH:18][c:19]([S:26][CH3:27])[c:20]1[NH:21][C:22]([CH2:23][N:44]1[CH2:43][CH2:42][N:41]([CH2:40][CH2:39][S:38][c:30]2[n:29][c:33]3[c:32]([nH:31]2)[cH:37][cH:36][cH:35][cH:34]3)[CH2:46][CH2:45]1)=[O:25]